1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one

C21H25NO3 — CID 110635370

IUPAC1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)C13CC4CC(CC(C4)C1)C3)CCC2=O
InChIInChI=1S/C21H25NO3/c1-25-18-4-2-3-16-17(23)5-6-22(19(16)18)20(24)21-10-13-7-14(11-21)9-15(8-13)12-21/h2-4,13-15H,5-12H2,1H3
InChIKeyILNMJLCDBOKBSJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.83
Rot. Bonds2

About 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one

1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635370) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635370
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(C(=O)C13CC4CC(CC(C4)C1)C3)CCC2=O
InChIInChI=1S/C21H25NO3/c1-25-18-4-2-3-16-17(23)5-6-22(19(16)18)20(24)21-10-13-7-14(11-21)9-15(8-13)12-21/h2-4,13-15H,5-12H2,1H3
InChIKeyILNMJLCDBOKBSJ-UHFFFAOYSA-N
XLogP3.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one (CID 110635370) is 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one is COc1cccc2c1N(C(=O)C13CC4CC(CC(C4)C1)C3)CCC2=O.
What is the InChIKey of 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is ILNMJLCDBOKBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-18-4-2-3-16-17(23)5-6-22(19(16)18)20(24)21-10-13-7-14(11-21)9-15(8-13)12-21/h2-4,13-15H,5-12H2,1H3.
What are the key properties of 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one?
1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 339.44 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).